N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C19H22N2O5S2 — CID 3708012

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S2/c1-25-15-6-5-14(12-18(15)28(23,24)21-7-9-26-10-8-21)20-19(22)17-11-13-3-2-4-16(13)27-17/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,22)
InChIKeyOHOCORNTSSVWOX-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.52
Rot. Bonds5

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 3708012) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID3708012
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S2/c1-25-15-6-5-14(12-18(15)28(23,24)21-7-9-26-10-8-21)20-19(22)17-11-13-3-2-4-16(13)27-17/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,22)
InChIKeyOHOCORNTSSVWOX-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 5177115
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348570
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 3600197
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
CID 4805511
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 4849252
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4877362
4-ethyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 16196695
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 16196711
N-[2-morpholino-2-(2-thienyl)ethyl]-4-(p-phenetylsulfamoyl)benzamide
CID 24982343
5-ethyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylthiophene-2-carboxamide
CID 4881327

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 3708012) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is COc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is OHOCORNTSSVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-25-15-6-5-14(12-18(15)28(23,24)21-7-9-26-10-8-21)20-19(22)17-11-13-3-2-4-16(13)27-17/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 3708012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).